(E)-3-[4-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-(4-benzyltriazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-[4-(phenylmethyl)-4-triazolyl]-2-propenoic acid IUPAC Name: (E)-3-(4-benzyltriazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-benzyltriazol-4-yl)acrylic acid Formula: C12H11N3O2 MolecularWeight: 229.23464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2(C=NN=N2)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2(C=NN=N2)/C=C/C(=O)O

InChI

InChI=1S/C12H11N3O2/c16-11(17)6-7-12(9-13-15-14-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)/b7-6+